SCHEMBL22712829

SCHEMBL22712829

CC(C)CCCC(C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(N)CC[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 1/20 1.00
▸ CYP2C19 P33261 1/20 1.00
▸ INPP5D Q92835 2/20 0.98
▸ CDC25A P30304 4/20 0.65
▸ BCHE P06276 1/20 0.64
▸ ACHE P22303 1/20 0.64
▸ POLA1 P09884 1/20 0.64
▸ OSBP P22059 1/20 0.59
▸ OSBP2 Q969R2 1/20 0.59
▸ KMT2A Q03164 1/20 0.57
▸ SRD5A1 P18405 3/20 0.57
▸ SRD5A2 P31213 3/20 0.57
▸ ST6GAL1 P15907 1/20 0.57
▸ NPC1L1 Q9UHC9 1/20 0.55
▸ TP53 P04637 2/20 0.54
▸ MAPK1 P28482 2/20 0.54
▸ CASP7 P55210 2/20 0.54
▸ HSD17B10 Q99714 2/20 0.54
▸ GPBAR1 Q8TDU6 2/20 0.54
▸ BLM P54132 2/20 0.54

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17817635 1.00 CYP2D6 (1.00) CYP2D6CYP2C19INPP5DCDC25ABCHE
SCHEMBL1881196 1.00 CYP2D6 (1.00) CYP2D6CYP2C19INPP5DCDC25ABCHE
SCHEMBL16344584 1.00 CYP2D6 (1.00) CYP2D6CYP2C19INPP5DCDC25ABCHE
SCHEMBL21946613 1.00 CYP2D6 (1.00) CYP2D6CYP2C19INPP5DCDC25ABCHE
SCHEMBL23016826 1.00 CYP2D6 (1.00) CYP2D6CYP2C19INPP5DCDC25ABCHE
SCHEMBL12279525 1.00 CYP2D6 (1.00) CYP2D6CYP2C19INPP5DCDC25ABCHE
SCHEMBL23645781 1.00 CYP2D6 (1.00) CYP2D6CYP2C19INPP5DCDC25ABCHE
SCHEMBL24104271 1.00 CYP2D6 (1.00) CYP2D6CYP2C19INPP5DCDC25ABCHE
SCHEMBL21589991 1.00 CYP2D6 (1.00) CYP2D6CYP2C19INPP5DCDC25ABCHE
SCHEMBL1163654 1.00 CYP2D6 (1.00) CYP2D6CYP2C19INPP5DCDC25ABCHE

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200376005-A1 SHIP INHIBITION TO COMBAT OBESITY The Research Foundation for the State of University of New York 2020-12-03 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20200376005-A1 SHIP INHIBITION TO COMBAT OBESITY PPM1G, PPM1B, PPM1F CYP2D6 4817/4885CYP2C19 4819/4885INPP5D 131/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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